1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one

C14H21N3O2 — CID 28872437

IUPAC1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one
SMILESO=C1CCCCCN1Cc1nc(C2CCCC2)no1
InChIInChI=1S/C14H21N3O2/c18-13-8-2-1-5-9-17(13)10-12-15-14(16-19-12)11-6-3-4-7-11/h11H,1-10H2
InChIKeyFTKSHJFGPVHWAQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.63
Rot. Bonds3

About 1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one

1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one (PubChem CID 28872437) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one.

Molecular Properties

Compound Name1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one
PubChem CID28872437
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one
SMILESO=C1CCCCCN1Cc1nc(C2CCCC2)no1
InChIInChI=1S/C14H21N3O2/c18-13-8-2-1-5-9-17(13)10-12-15-14(16-19-12)11-6-3-4-7-11/h11H,1-10H2
InChIKeyFTKSHJFGPVHWAQ-UHFFFAOYSA-N
XLogP2.63
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-one
CID 97443276
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one
CID 29213543
1-[[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]azocan-2-one;hydrochloride
CID 120856030
1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]piperidin-2-one
CID 72936245
3-methoxy-1-[[3-[1-(2-methylpropyl)-6-oxopiperidin-3-yl]-1,2,4-oxadiazol-5-yl]methyl]azepan-2-one
CID 167897260
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
CID 91811095
1-[3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl]pyrrolidin-2-one
CID 72861593
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 56686775
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]tetrazol-5-amine
CID 166393831

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one?
The IUPAC name of 1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one (CID 28872437) is 1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one.
What is the SMILES notation for 1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one?
The canonical SMILES for 1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one is O=C1CCCCCN1Cc1nc(C2CCCC2)no1.
What is the InChIKey of 1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one?
The InChIKey is FTKSHJFGPVHWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-8-2-1-5-9-17(13)10-12-15-14(16-19-12)11-6-3-4-7-11/h11H,1-10H2.
What are the key properties of 1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one?
1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one has a molecular weight of 263.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one is sourced from PubChem (CID 28872437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).